磷酸三庚酯
TL;DR: 磷酸三庚酯 (CAS 4621-50-5) is a chemical compound with molecular formula C21H45O4P and molecular weight 392.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸三庚酯
triheptyl phosphate
Also Known As: Triheptyl phosphate, Phosphoric acid triheptyl ester, Phosphoric acid, triheptyl ester, Phosphoricacid,triheptylester, Phosphorsaeure-triheptylester
| Molecular Formula | C21H45O4P |
|---|---|
| Molecular Weight | 392.31 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 392.30554 |
| Heavy Atoms | 26 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 4621-50-5 |
|---|---|
| SMILES | CCCCCCCOP(=O)(OCCCCCCC)OCCCCCCC |
| InChIKey | GSURLQOINUQIIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸三庚酯 (CAS 4621-50-5), with molecular formula C21H45O4P and molecular weight 392.31 g/mol. IUPAC: triheptyl phosphate.
Chemical Property Profile of 磷酸三庚酯
Property Insights of 磷酸三庚酯
The XLogP value of 8.1 indicates that 磷酸三庚酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 磷酸三庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸三庚酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磷酸三庚酯?
The CAS number of 磷酸三庚酯 is 4621-50-5.
What is the molecular formula of 磷酸三庚酯?
The molecular formula of 磷酸三庚酯 is C21H45O4P.
What is the molecular weight of 磷酸三庚酯?
The molecular weight of 磷酸三庚酯 is 392.31 g/mol.
Where can I buy 磷酸三庚酯?
You can request a quote for 磷酸三庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸三庚酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸三庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.